MolNFT v1 · #73743 · protein
Crystal structure of a possible 3-hydroxyisobutyrate dehydrogenase from pseudomonas aeruginosa PAO1
3OBB · Probable 3-hydroxyisobutyrate dehydrogenase: “Crystal structure of a possible 3-hydroxyisobutyrate dehydrogenase from pseudomonas aeruginosa PAO1”. X-ray diffraction, 1 pocket (best druggability 0.65). MolNFT v1 #73743 on GenesisL1…
- PDB
- 3OBB
- Type
- protein
- Length
- 295 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable 3-hydroxyisobutyrate dehydrogenase
- EC
- 1.1.1.276
- UniProt
- Q9I5I6
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable 3-hydroxyisobutyrate dehydrogenase (EC 1.1.1.276) | protein | 295 | 52% helix, 14% strand | Q9I5I6 |
Ligands and binding sites
- ACT · Acetate ion · additive · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 350 | 0.65 | 0.79 | 46 | ACT, EDO, EPE |
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 3OBB · Crystal structure of a possible 3-hydroxyisobutyrate Dehydrogenase from pseudomonas… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I5I6 · AlphaFold monomer V2.0 prediction for NAD-dependent L-serine dehydrogenase (Q9I5I6) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9I5I6
- Elsewhere: RCSB PDB 3OBB · PDBe 3OBB · UniProt Q9I5I6
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